Search results for "Surfaces"
showing 10 items of 2837 documents
Spin caloric transport from density-functional theory
2019
Spin caloric transport refers to the coupling of heat with spin transport. Its applications primarily concern the generation of spin currents and control of magnetisation by temperature gradients for information technology, known by the synonym spin caloritronics. Within the framework of ab initio theory, new tools are being developed to provide an additional understanding of these phenomena in realistic materials, accounting for the complexity of the electronic structure without adjustable parameters. Here, we review this progress, summarising the principles of the density-functional-based approaches in the field and presenting a number of application highlights. Our discussion includes th…
Photoluminescence and Electron Spin Resonance of Silicon Dioxide Crystal with Rutile Structure (Stishovite)
2018
This work was supported by ERANET MYND. Also, financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2017/2 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. The authors express our gratitude to R.I. Mashkovtsev for help in ESR signal interpretation. The authors are appreciative to T.I. Dyuzheva, L.M. Lityagina, N.A. Bendeliani for stishovite single crystals and to K. Hubner and H.-J. Fitting for stishovite powder of Barringer Meteor Crater.
The Essential Oil of
2019
Many chemicals used nowadays for the preservation of cultural heritage pose a risk to both human health and the environment. Thus, it is desirable to find new and eco-friendly biocides that can replace the synthetic ones. In this regard, plant essential oils represent effective alternatives to synthetic substances for the preservation of historical monuments. Thymbra capitata (syn. Thymus capitatus) is a medicinal and aromatic plant growing in the Mediterranean area and endowed with important pharmacological properties related to its essential oil. Among them, the antimicrobial ones make the T. capitata essential oil an ideal candidate for industrial applications; for instance, as biocide f…
Reverse Catmull-Clark Subdivision
2006
Reverse subdivision consists in constructing a coarse mesh of a model from a finer mesh of this same model. In this paper, we give formulas for reverse Catmull-Clark subdivision. These formulas allow the constructing of a coarse mesh for almost all meshes. The condition for being able to apply these formulas is that the mesh to be reversed must be generated by the subdivision of a coarse mesh. Except for this condition, the mesh can be arbitrary. Vertices can be regular or extraordinary and the mesh itself can be arbitrary (triangular, quadrilateral…).
Ositusmetodit reaaliaikaisessa renderöinnissä
2017
Tietokonegrafiikka ja siihen liittyvät menetelmät ovat nopeasti kehittyvä tutkimuksen ala. Tämän tutkimuksen tavoitteena on pohtia eri ositusmenetelmien toimintaa reaaliaikaisessa käytössä sekä vertailla näitä menetelmiä. Nykyaikaiselle käytölle tehokkaimmaksi osoittautui kolmesta tutkitusta menetelmästä tuorein (Brainerd ym. 2016). Tulevassa tutkimuksessa laitteistointegraatioon keskittyminen voisi tuoda ositusmenetelmät nopeammin kuluttajien saataville. Computergraphicsanditsmethodsarearapidlydevelopingfieldinresearch.The purpose of this study is to discuss and compare the functionality of several subdivision methods in real-time use. The latest of the three studied methods turned out to be…
Joint Subcarrier and Phase Shifts Optimization for RIS-aided Localization-Communication System
2022
Joint localization and communication systems have drawn significant attention due to their high resource utilization. In this paper, we consider a reconfigurable intelligent surface (RIS)-aided simultaneously localization and communication system. We first determine the sum squared position error bound (SPEB) as the localization accuracy metric for the presented localization-communication system. Then, a joint RIS discrete phase shifts design and subcarrier assignment problem is formulated to minimize the SPEB while guaranteeing each user’s achievable data rate requirement. For the presented non-convex mixed-integer problem, we propose an iterative algorithm to obtain a suboptimal solution …
The Jäntti approach to adsorption with increasing gas pressure
2002
Jäntti introduced a method of calculating equilibrium adsorption from measurements where the pressure of the gas was varied in a stepwise manner. His aim was to shorten the time necessary for a given measurement. The method was applied to gas/solid systems in which simple adsorption processes occurred and where the number of adsorption sites was infinite. The present paper discusses the case where no adsorption is possible on an already occupied site (Langmuir isotherm) while the number of positions available for adsorption is considered limited. The advantages of using a gas pressure that increases linearly with time are evident for studies with this limitation. It is shown that such meas…
Towards Controlled Synthesis of Water-Soluble Gold Nanoclusters : Synthesis and Analysis
2019
Water-soluble gold nanoclusters with well-defined molecular structures and stability possess particular biophysical properties making them excellent candidates for biological applications as well as for fundamental spectroscopic studies. The currently existing synthetic protocols for atomically monodisperse thiolate-protected gold nanoclusters (AuMPCs) have been widely expanded with organothiolates, yet the direct synthesis reports for water-soluble AuMPCs are still deficient. Here, we demonstrate a wet-chemistry pH-controlled synthesis of two large water-soluble nanoclusters utilizing p-mercaptobenzoic acid (pMBA), affording different sizes of plasmonic AuMPCs on the preparative scale (∼7 …
An Easy Route Towards Regioselectively Difunctionalized Cyclens and New Cryptands.
2006
Reductive amination of various aldehydes with cyclen represents a very convenient method for the synthesis of a wide range of 1,7-difunctionalized cyclens, as well as new cryptands.
Isophorone on Au/MgO/Ag(001) : Physisorption with Electrostatic Site Selection
2017
We report a computational study of isophorone C9H14O adsorption on a Ag(001)-supported ultrathin MgO film with Au adatoms and clusters employing density functional theory calculations. The calculations show that the keto form of isophorone is more stable than the enol tautomers both in gas phase and on the MgO/Ag(001) surface. The interaction between the keto isophorone and step and terrace sites of MgO/Ag(001) displays long interaction distances, relatively weakly exothermic adsorption energies, lack of charge transfer, and minor changes in the density of states, all of which indicate that the molecule merely physisorbs on the surface. The step sites are energetically preferred adsorption …